(3S)-N-[4-(2-methylpyridin-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[4-(2-methylpyridin-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[4-(2-methyl-4-pyridyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[4-(2-methyl-4-pyridinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[4-(2-methylpyridin-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[4-(2-methyl-4-pyridyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=NC=CC(=C1)C2=CC=C(C=C2)NC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N2O3/c1-14-12-16(10-11-22-14)15-6-8-17(9-7-15)23-21(24)20-13-25-18-4-2-3-5-19(18)26-20/h2-12,20H,13H2,1H3,(H,23,24)/t20-/m0/s1